chloromethane;2,2-dimethylpropane

C6H15Cl — CID 142899692

IUPACchloromethane;2,2-dimethylpropane
SMILESCC(C)(C)C.CCl
InChIInChI=1S/C5H12.CH3Cl/c1-5(2,3)4;1-2/h1-4H3;1H3
InChIKeyRFBITXWJMPVLLY-UHFFFAOYSA-N
MW122.64 g/mol
LogP2.91
Rot. Bonds

About chloromethane;2,2-dimethylpropane

chloromethane;2,2-dimethylpropane (PubChem CID 142899692) has the molecular formula C6H15Cl and a molecular weight of 122.64 g/mol. Its IUPAC name is chloromethane;2,2-dimethylpropane.

Molecular Properties

Compound Namechloromethane;2,2-dimethylpropane
PubChem CID142899692
Molecular FormulaC6H15Cl
Molecular Weight122.64 g/mol
Exact Mass122.09
IUPAC Namechloromethane;2,2-dimethylpropane
SMILESCC(C)(C)C.CCl
InChIInChI=1S/C5H12.CH3Cl/c1-5(2,3)4;1-2/h1-4H3;1H3
InChIKeyRFBITXWJMPVLLY-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.64
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Propan-Methylchlorid
CID 21282219
Tert-butyl(dimethyl)-lambda3-chlorane
CID 17802095
Butane;chloromethane
CID 23360987
2,2-Dimethylpropane chloride
CID 157946971
Chloromethane;2-methylpropane
CID 159576312
2,2-Dimethylpropane;hydrochloride
CID 160480325

Frequently Asked Questions

What is the IUPAC name of chloromethane;2,2-dimethylpropane?
The IUPAC name of chloromethane;2,2-dimethylpropane (CID 142899692) is chloromethane;2,2-dimethylpropane.
What is the SMILES notation for chloromethane;2,2-dimethylpropane?
The canonical SMILES for chloromethane;2,2-dimethylpropane is CC(C)(C)C.CCl.
What is the InChIKey of chloromethane;2,2-dimethylpropane?
The InChIKey is RFBITXWJMPVLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.CH3Cl/c1-5(2,3)4;1-2/h1-4H3;1H3.
What are the key properties of chloromethane;2,2-dimethylpropane?
chloromethane;2,2-dimethylpropane has a molecular weight of 122.64 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;2,2-dimethylpropane is sourced from PubChem (CID 142899692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).